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72179-85-2 molecular structure
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(propan-2-yl)(sulfamoyl)amine

ChemBase ID: 798970
Molecular Formular: C3H10N2O2S
Molecular Mass: 138.1887
Monoisotopic Mass: 138.04629857
SMILES and InChIs

SMILES:
N(S(=O)(=O)N)C(C)C
Canonical SMILES:
CC(NS(=O)(=O)N)C
InChI:
InChI=1S/C3H10N2O2S/c1-3(2)5-8(4,6)7/h3,5H,1-2H3,(H2,4,6,7)
InChIKey:
ZVNSDZSAOHBAJU-UHFFFAOYSA-N

Cite this record

CBID:798970 http://www.chembase.cn/molecule-798970.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(propan-2-yl)(sulfamoyl)amine
IUPAC Traditional name
isopropyl(sulfamoyl)amine
Synonyms
isopropylaminesulfonamide
CAS Number
72179-85-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13118 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13118 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.819053  H Acceptors
H Donor LogD (pH = 5.5) -0.99424505 
LogD (pH = 7.4) -0.99425954  Log P -0.9942449 
Molar Refractivity 30.9057 cm3 Polarizability 13.169777 Å3
Polar Surface Area 72.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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